4-oxidanylidene-2-[[(4R)-4-phenyl-4H-1,2,3-triazol-5-yl]sulfanyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde

Systemtic Name: 4-oxidanylidene-2-[[(4R)-4-phenyl-4H-1,2,3-triazol-5-yl]sulfanyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Openeye Name: 4-oxo-2-[[(4R)-4-phenyl-4H-triazol-5-yl]sulfanyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde CAS Name: 4-oxo-2-[[(4R)-4-phenyl-4H-triazol-5-yl]thio]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxaldehyde IUPAC Name: 4-oxo-2-[[(4R)-4-phenyl-4H-triazol-5-yl]sulfanyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Traditional Name: 4-keto-2-[[(4R)-4-phenyl-4H-triazol-5-yl]thio]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Formula: C17H12N5O2S+ MolecularWeight: 350.37448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=NN=N2)SC3=C(C(=O)[N+]4=CC=CC=C4N3)C=O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2C(=NN=N2)SC3=C(C(=O)[N+]4=CC=CC=C4N3)C=O

InChI

InChI=1S/C17H11N5O2S/c23-10-12-15(18-13-8-4-5-9-22(13)17(12)24)25-16-14(19-21-20-16)11-6-2-1-3-7-11/h1-10,14H/p+1/t14-/m1/s1